From ca5b611c6a51a2184fae6de737983c1266e56d5f Mon Sep 17 00:00:00 2001 From: Sylvain Tricot Date: Mon, 1 Sep 2025 21:38:32 +0100 Subject: [PATCH] Add a custom viewer --- Activity01/myviewer.py | 21 +++++++++++++++++++++ Activity02/myviewer.py | 1 + 2 files changed, 22 insertions(+) create mode 100644 Activity01/myviewer.py create mode 120000 Activity02/myviewer.py diff --git a/Activity01/myviewer.py b/Activity01/myviewer.py new file mode 100644 index 0000000..14b6700 --- /dev/null +++ b/Activity01/myviewer.py @@ -0,0 +1,21 @@ +import sys +from ase.io import read +from msspec.msspecgui.msspec.gui.clusterviewer import ClusterViewer +import wx + +def view(cluster): + app = wx.App(False) + win = wx.Frame(None, size=wx.Size(480, 340)) + cluster_viewer = ClusterViewer(win, size=wx.Size(480,340)) + cluster_viewer.set_atoms(cluster, rescale=True, center=True) + cluster_viewer.rotate_atoms(0.,180.) + cluster_viewer.rotate_atoms(-45., 45.) + win.Show() + app.MainLoop() + + + +if __name__ == "__main__": + fname = sys.argv[1] + cluster = read(fname) + view(cluster) diff --git a/Activity02/myviewer.py b/Activity02/myviewer.py new file mode 120000 index 0000000..6c379e1 --- /dev/null +++ b/Activity02/myviewer.py @@ -0,0 +1 @@ +../Activity01/myviewer.py \ No newline at end of file